1-[cyano(phenyl)methyl]-3-cyclohexylurea

C15H19N3O — CID 54904474

IUPAC1-[cyano(phenyl)methyl]-3-cyclohexylurea
SMILESN#CC(NC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H19N3O/c16-11-14(12-7-3-1-4-8-12)18-15(19)17-13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-10H2,(H2,17,18,19)
InChIKeyYMKIZUVZRCULKT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.88
Rot. Bonds3

About 1-[cyano(phenyl)methyl]-3-cyclohexylurea

1-[cyano(phenyl)methyl]-3-cyclohexylurea (PubChem CID 54904474) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[cyano(phenyl)methyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[cyano(phenyl)methyl]-3-cyclohexylurea
PubChem CID54904474
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[cyano(phenyl)methyl]-3-cyclohexylurea
SMILESN#CC(NC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H19N3O/c16-11-14(12-7-3-1-4-8-12)18-15(19)17-13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-10H2,(H2,17,18,19)
InChIKeyYMKIZUVZRCULKT-UHFFFAOYSA-N
XLogP2.88
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano(phenyl)methyl]cycloheptanecarboxamide
CID 62586494
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 15231966
1-cyclohexyl-3-[(1S,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 70268253
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-[cyano(phenyl)methyl]-3-methylurea
CID 86162991
2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide
CID 47075852
N-[cyano(phenyl)methyl]cyclobutanecarboxamide
CID 60699487
1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 40541623
[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575
N-[cyano(phenyl)methyl]oxane-2-carboxamide
CID 62214242
1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 100744634
1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea
CID 110287025

Frequently Asked Questions

What is the IUPAC name of 1-[cyano(phenyl)methyl]-3-cyclohexylurea?
The IUPAC name of 1-[cyano(phenyl)methyl]-3-cyclohexylurea (CID 54904474) is 1-[cyano(phenyl)methyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[cyano(phenyl)methyl]-3-cyclohexylurea?
The canonical SMILES for 1-[cyano(phenyl)methyl]-3-cyclohexylurea is N#CC(NC(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of 1-[cyano(phenyl)methyl]-3-cyclohexylurea?
The InChIKey is YMKIZUVZRCULKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-11-14(12-7-3-1-4-8-12)18-15(19)17-13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-10H2,(H2,17,18,19).
What are the key properties of 1-[cyano(phenyl)methyl]-3-cyclohexylurea?
1-[cyano(phenyl)methyl]-3-cyclohexylurea has a molecular weight of 257.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyano(phenyl)methyl]-3-cyclohexylurea is sourced from PubChem (CID 54904474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).